Geometry & MOs

Info

ID:	123177
PubChem CID:	50836475
Reduced:	O3N5C23H27 (1)
Stoich.:	A3B5C23D27 (1)
Weight, g/mol:	448.102768
ΔH_f, kcal/mol:	-18.84
Dipole, Da:	9.32
IP(EA), eV:	-9.09(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylphenyl)-2-[[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)C2=NC(=NO2)CN3C(=O)C=CC(=N3)C4=CC(=C(C=C4)C)C

DOS

IR

Vibrations